(1R,4S)-1,3,3-trimethyl-N-(2-phenylpropyl)bicyclo[2.2.1]heptan-2-amine

C19H29N — CID 115400383

IUPAC(1R,4S)-1,3,3-trimethyl-N-(2-phenylpropyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(CNC1C(C)(C)[C@H]2CC[C@]1(C)C2)c1ccccc1
InChIInChI=1S/C19H29N/c1-14(15-8-6-5-7-9-15)13-20-17-18(2,3)16-10-11-19(17,4)12-16/h5-9,14,16-17,20H,10-13H2,1-4H3/t14?,16-,17?,19+/m0/s1
InChIKeyTXWMLCMWDNAJRX-VHHHDHQQSA-N
MW271.45 g/mol
LogP4.59
Rot. Bonds4

About (1R,4S)-1,3,3-trimethyl-N-(2-phenylpropyl)bicyclo[2.2.1]heptan-2-amine

(1R,4S)-1,3,3-trimethyl-N-(2-phenylpropyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 115400383) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is (1R,4S)-1,3,3-trimethyl-N-(2-phenylpropyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,4S)-1,3,3-trimethyl-N-(2-phenylpropyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID115400383
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name(1R,4S)-1,3,3-trimethyl-N-(2-phenylpropyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(CNC1C(C)(C)[C@H]2CC[C@]1(C)C2)c1ccccc1
InChIInChI=1S/C19H29N/c1-14(15-8-6-5-7-9-15)13-20-17-18(2,3)16-10-11-19(17,4)12-16/h5-9,14,16-17,20H,10-13H2,1-4H3/t14?,16-,17?,19+/m0/s1
InChIKeyTXWMLCMWDNAJRX-VHHHDHQQSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,4S)-1,3,3-trimethyl-N-(2-methyl-1-phenylpropyl)bicyclo[2.2.1]heptan-2-amine
CID 115400500
2-phenyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanol
CID 115400798
N-(2,4-dimethylpentyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 114200148
(1R,4S)-1,3,3-trimethyl-N-(4-phenylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 115400384
2-amino-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoic acid
CID 64581252
(1R,4S)-1,3,3-trimethyl-N-[2-(2-methylphenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 115400894
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
N',N'-di(propan-2-yl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine
CID 115400247
(1R,4S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400949
(1R,4S)-N-(2-methoxyethyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400162
8,8-dimethyl-N-(2-phenylpropyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863032
1,3,3-trimethyl-N-[(1R)-1-pyridin-4-ylethyl]bicyclo[2.2.1]heptan-2-amine
CID 81405698

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-1,3,3-trimethyl-N-(2-phenylpropyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,4S)-1,3,3-trimethyl-N-(2-phenylpropyl)bicyclo[2.2.1]heptan-2-amine (CID 115400383) is (1R,4S)-1,3,3-trimethyl-N-(2-phenylpropyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,4S)-1,3,3-trimethyl-N-(2-phenylpropyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,4S)-1,3,3-trimethyl-N-(2-phenylpropyl)bicyclo[2.2.1]heptan-2-amine is CC(CNC1C(C)(C)[C@H]2CC[C@]1(C)C2)c1ccccc1.
What is the InChIKey of (1R,4S)-1,3,3-trimethyl-N-(2-phenylpropyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is TXWMLCMWDNAJRX-VHHHDHQQSA-N. The full InChI is InChI=1S/C19H29N/c1-14(15-8-6-5-7-9-15)13-20-17-18(2,3)16-10-11-19(17,4)12-16/h5-9,14,16-17,20H,10-13H2,1-4H3/t14?,16-,17?,19+/m0/s1.
What are the key properties of (1R,4S)-1,3,3-trimethyl-N-(2-phenylpropyl)bicyclo[2.2.1]heptan-2-amine?
(1R,4S)-1,3,3-trimethyl-N-(2-phenylpropyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 271.45 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-1,3,3-trimethyl-N-(2-phenylpropyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115400383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).