4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine

C19H31NO — CID 783786

IUPAC4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
SMILESCOc1ccccc1CCNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H31NO/c1-19(2,3)16-9-11-17(12-10-16)20-14-13-15-7-5-6-8-18(15)21-4/h5-8,16-17,20H,9-14H2,1-4H3
InChIKeyWHIGUJZLRRODIW-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.43
Rot. Bonds5

About 4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine

4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine (PubChem CID 783786) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
PubChem CID783786
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
SMILESCOc1ccccc1CCNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H31NO/c1-19(2,3)16-9-11-17(12-10-16)20-14-13-15-7-5-6-8-18(15)21-4/h5-8,16-17,20H,9-14H2,1-4H3
InChIKeyWHIGUJZLRRODIW-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-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

4-tert-butyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 78911515
N-[2-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 113218952
3-N-[2-(2-methoxyphenyl)ethyl]cyclopentane-1,3-diamine
CID 114165383
1-[4-[2-(2-methoxyphenyl)ethylamino]piperidin-1-yl]ethanone
CID 23768743
1-benzyl-N-[2-(2-methoxyphenyl)ethyl]piperidin-4-amine
CID 27267411
2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106261295
N-[2-(2-methoxyphenyl)ethyl]thian-3-amine
CID 103885574
N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine
CID 103748166
N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine
CID 62801628
2-N-[2-(2-methoxyphenyl)ethyl]cyclohexane-1,2-diamine
CID 115118101
trans-(1S,2S)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 768564
cis-(1S,2R)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 768559

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine (CID 783786) is 4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine is COc1ccccc1CCNC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine?
The InChIKey is WHIGUJZLRRODIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-19(2,3)16-9-11-17(12-10-16)20-14-13-15-7-5-6-8-18(15)21-4/h5-8,16-17,20H,9-14H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine?
4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 783786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).