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

C20H31N — CID 115400384

IUPAC(1R,4S)-1,3,3-trimethyl-N-(4-phenylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(CCc1ccccc1)NC1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C20H31N/c1-15(10-11-16-8-6-5-7-9-16)21-18-19(2,3)17-12-13-20(18,4)14-17/h5-9,15,17-18,21H,10-14H2,1-4H3/t15?,17-,18?,20+/m0/s1
InChIKeyZHDWEOHIPLJJMK-ZXQWHALDSA-N
MW285.47 g/mol
LogP4.81
Rot. Bonds5

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

(1R,4S)-1,3,3-trimethyl-N-(4-phenylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 115400384) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is (1R,4S)-1,3,3-trimethyl-N-(4-phenylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,4S)-1,3,3-trimethyl-N-(4-phenylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine
PubChem CID115400384
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC Name(1R,4S)-1,3,3-trimethyl-N-(4-phenylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(CCc1ccccc1)NC1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C20H31N/c1-15(10-11-16-8-6-5-7-9-16)21-18-19(2,3)17-12-13-20(18,4)14-17/h5-9,15,17-18,21H,10-14H2,1-4H3/t15?,17-,18?,20+/m0/s1
InChIKeyZHDWEOHIPLJJMK-ZXQWHALDSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,4S)-1,3,3-trimethyl-N-(4-phenylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine with MolForge

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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
(1R,4S)-1,3,3-trimethyl-N-(2-phenylpropyl)bicyclo[2.2.1]heptan-2-amine
CID 115400383
1,3,3-trimethyl-N-phenylmethoxybicyclo[2.2.1]heptan-2-amine
CID 82710310
(1R,4S)-N-(1-cyclopropylpropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400818
2,2-dimethyl-3-(4-phenylbutan-2-ylamino)cyclobutan-1-ol
CID 112633301
N-(4-phenylbutan-2-yl)cyclohexanamine
CID 10633307
(1R,4S)-1,3,3-trimethyl-N-(1-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine
CID 115400352
(1R,4S)-1,3,3-trimethyl-N-(2-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine
CID 115400223
2,2-diethyl-N-(4-phenylbutan-2-yl)oxan-4-amine
CID 83035848
1-methyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
CID 61461386
N-(4-phenylbutan-2-yl)oxolan-3-amine
CID 63331840

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-1,3,3-trimethyl-N-(4-phenylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,4S)-1,3,3-trimethyl-N-(4-phenylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine (CID 115400384) is (1R,4S)-1,3,3-trimethyl-N-(4-phenylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,4S)-1,3,3-trimethyl-N-(4-phenylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,4S)-1,3,3-trimethyl-N-(4-phenylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine is CC(CCc1ccccc1)NC1C(C)(C)[C@H]2CC[C@]1(C)C2.
What is the InChIKey of (1R,4S)-1,3,3-trimethyl-N-(4-phenylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is ZHDWEOHIPLJJMK-ZXQWHALDSA-N. The full InChI is InChI=1S/C20H31N/c1-15(10-11-16-8-6-5-7-9-16)21-18-19(2,3)17-12-13-20(18,4)14-17/h5-9,15,17-18,21H,10-14H2,1-4H3/t15?,17-,18?,20+/m0/s1.
What are the key properties of (1R,4S)-1,3,3-trimethyl-N-(4-phenylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine?
(1R,4S)-1,3,3-trimethyl-N-(4-phenylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 285.47 g/mol, XLogP of 4.81, 5 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-(4-phenylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115400384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).