1-[4-(1-adamantyl)phenyl]butan-1-amine

C20H29N — CID 3591878

IUPAC1-[4-(1-adamantyl)phenyl]butan-1-amine
SMILESCCCC(N)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H29N/c1-2-3-19(21)17-4-6-18(7-5-17)20-11-14-8-15(12-20)10-16(9-14)13-20/h4-7,14-16,19H,2-3,8-13,21H2,1H3
InChIKeyBQMBBHBXJLNFQF-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.95
Rot. Bonds4

About 1-[4-(1-adamantyl)phenyl]butan-1-amine

1-[4-(1-adamantyl)phenyl]butan-1-amine (PubChem CID 3591878) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-[4-(1-adamantyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name1-[4-(1-adamantyl)phenyl]butan-1-amine
PubChem CID3591878
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name1-[4-(1-adamantyl)phenyl]butan-1-amine
SMILESCCCC(N)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H29N/c1-2-3-19(21)17-4-6-18(7-5-17)20-11-14-8-15(12-20)10-16(9-14)13-20/h4-7,14-16,19H,2-3,8-13,21H2,1H3
InChIKeyBQMBBHBXJLNFQF-UHFFFAOYSA-N
XLogP4.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[4-(1-adamantyl)phenyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Desmethylmaprotiline
CID 119409
1-Tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethanamine
CID 14950933
1-(4-Isopropylphenyl)ethanamine
CID 3728039
2-Phenyladamantan-2-amine
CID 430619
[3-(3,4-Dimethylphenyl)-1-adamantyl]methylamine
CID 2828186
1-(1-(Biphenyl-4-yl)cyclohexyl)ethanamine
CID 24860899
((1s,3r,5R,7S)-3-(p-tolyl)adamantan-1-yl)methanamine hydrochloride
CID 2828193
1-(4-Phenylphenyl)ethan-1-amine
CID 2771754
A-phenyl-beta-(p-tolyl)ethylamine
CID 191086
2-(3-Phenyl-1-adamantyl)ethanamine;hydrochloride
CID 45266031
3-Ethyl-5-phenyladamantan-1-amine
CID 10220703
N-[(4-tert-butylphenyl)methyl]adamantan-1-amine
CID 82364212

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-adamantyl)phenyl]butan-1-amine?
The IUPAC name of 1-[4-(1-adamantyl)phenyl]butan-1-amine (CID 3591878) is 1-[4-(1-adamantyl)phenyl]butan-1-amine.
What is the SMILES notation for 1-[4-(1-adamantyl)phenyl]butan-1-amine?
The canonical SMILES for 1-[4-(1-adamantyl)phenyl]butan-1-amine is CCCC(N)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 1-[4-(1-adamantyl)phenyl]butan-1-amine?
The InChIKey is BQMBBHBXJLNFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N/c1-2-3-19(21)17-4-6-18(7-5-17)20-11-14-8-15(12-20)10-16(9-14)13-20/h4-7,14-16,19H,2-3,8-13,21H2,1H3.
What are the key properties of 1-[4-(1-adamantyl)phenyl]butan-1-amine?
1-[4-(1-adamantyl)phenyl]butan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-adamantyl)phenyl]butan-1-amine is sourced from PubChem (CID 3591878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).