N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine

C19H29NO — CID 43508713

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(C)NC(C)C2CC3CCC2C3)cc1
InChIInChI=1S/C19H29NO/c1-13(10-15-5-8-18(21-3)9-6-15)20-14(2)19-12-16-4-7-17(19)11-16/h5-6,8-9,13-14,16-17,19-20H,4,7,10-12H2,1-3H3
InChIKeySMPAVHFNUTVRPI-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.04
Rot. Bonds6

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine (PubChem CID 43508713) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
PubChem CID43508713
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(C)NC(C)C2CC3CCC2C3)cc1
InChIInChI=1S/C19H29NO/c1-13(10-15-5-8-18(21-3)9-6-15)20-14(2)19-12-16-4-7-17(19)11-16/h5-6,8-9,13-14,16-17,19-20H,4,7,10-12H2,1-3H3
InChIKeySMPAVHFNUTVRPI-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 61364944
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methoxybenzamide
CID 98233696
1-(2-bicyclo[2.2.1]heptanyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 115685934
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79369338
2-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 98301658
2-[bromo-[4-(2-methylpropyl)phenyl]methyl]bicyclo[2.2.1]heptane
CID 63435569
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4-dimethoxybenzamide
CID 98288796
1-cyclohexyl-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine
CID 63476458
N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine
CID 2846450
N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]cyclopropanamine
CID 82262623
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-bromo-5-methoxybenzamide
CID 98307224
(1R,2S,4S)-N-[2-(4-methoxyphenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 784416

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine (CID 43508713) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine is COc1ccc(CC(C)NC(C)C2CC3CCC2C3)cc1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine?
The InChIKey is SMPAVHFNUTVRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-13(10-15-5-8-18(21-3)9-6-15)20-14(2)19-12-16-4-7-17(19)11-16/h5-6,8-9,13-14,16-17,19-20H,4,7,10-12H2,1-3H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 43508713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).