N-methyl-1-[(1R,2S,3S,4S)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine

C19H23N — CID 101346500

IUPACN-methyl-1-[(1R,2S,3S,4S)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESCNC[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15-,17+,18+,19+/m1/s1
InChIKeyPORDAYLSLHLTRQ-BVBHFADKSA-N
MW265.40 g/mol
LogP4.19
Rot. Bonds3

About N-methyl-1-[(1R,2S,3S,4S)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine

N-methyl-1-[(1R,2S,3S,4S)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine (PubChem CID 101346500) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is N-methyl-1-[(1R,2S,3S,4S)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(1R,2S,3S,4S)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine
PubChem CID101346500
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC NameN-methyl-1-[(1R,2S,3S,4S)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESCNC[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15-,17+,18+,19+/m1/s1
InChIKeyPORDAYLSLHLTRQ-BVBHFADKSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-methyl-1-[(1R,2S,3S,4S)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine with MolForge

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Related Compounds

[(2R,3R)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine
CID 154451237
1-[(2R,3S)-3-(3,4-dichlorophenyl)-2-bicyclo[2.2.2]octanyl]-N-methylmethanamine;hydrochloride
CID 70432541
N-methyl-4-naphthalen-2-ylcyclohexan-1-amine
CID 116962734
2-[(1S,5R,6S,7R)-7-naphthalen-2-yl-6-bicyclo[3.2.0]heptanyl]naphthalene
CID 101353270
2-[(1R)-3-cyclopropyl-2,3-dihydro-1H-inden-1-yl]naphthalene
CID 142137926
[4-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
CID 119545280
2-cyclopropylanthracene
CID 91468721
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride
CID 119540877
N-[(2-naphthalen-2-ylcyclopropyl)methyl]propan-2-amine
CID 62708560
[3-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
CID 119397312
2-methyl-N-[(2-naphthalen-2-yloxolan-3-yl)methyl]propan-2-amine
CID 79370307
5-naphthalen-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride
CID 155345745

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1R,2S,3S,4S)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine?
The IUPAC name of N-methyl-1-[(1R,2S,3S,4S)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine (CID 101346500) is N-methyl-1-[(1R,2S,3S,4S)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine.
What is the SMILES notation for N-methyl-1-[(1R,2S,3S,4S)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine?
The canonical SMILES for N-methyl-1-[(1R,2S,3S,4S)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine is CNC[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccc2ccccc2c1.
What is the InChIKey of N-methyl-1-[(1R,2S,3S,4S)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine?
The InChIKey is PORDAYLSLHLTRQ-BVBHFADKSA-N. The full InChI is InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15-,17+,18+,19+/m1/s1.
What are the key properties of N-methyl-1-[(1R,2S,3S,4S)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine?
N-methyl-1-[(1R,2S,3S,4S)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine has a molecular weight of 265.40 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1R,2S,3S,4S)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine is sourced from PubChem (CID 101346500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).