1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol

C19H31NO — CID 65122937

IUPAC1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol
SMILESCCCc1ccc(C(C)NCC2(O)CCCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-3-8-17-9-11-18(12-10-17)16(2)20-15-19(21)13-6-4-5-7-14-19/h9-12,16,20-21H,3-8,13-15H2,1-2H3
InChIKeyWLVHJWHRXWZALW-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.38
Rot. Bonds6

About 1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol

1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol (PubChem CID 65122937) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol
PubChem CID65122937
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol
SMILESCCCc1ccc(C(C)NCC2(O)CCCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-3-8-17-9-11-18(12-10-17)16(2)20-15-19(21)13-6-4-5-7-14-19/h9-12,16,20-21H,3-8,13-15H2,1-2H3
InChIKeyWLVHJWHRXWZALW-UHFFFAOYSA-N
XLogP4.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol 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

[1-[[1-(4-propylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 103965966
N,N-dimethyl-1-[[1-(4-propylphenyl)ethylamino]methyl]cyclopentan-1-amine
CID 83108390
1-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]cyclohexan-1-ol
CID 81359958
1-[[1-(4-chlorophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 54965453
1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 81355924
1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105631
4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol
CID 81130776
N-[(2-methylthiolan-2-yl)methyl]-1-(4-propylphenyl)ethanamine
CID 80726715
1-[[1-[4-(2-methylpropoxy)phenyl]ethylamino]methyl]cyclopentan-1-ol
CID 65107204
1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 62840169
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
1-[hydroxy-(4-propylphenyl)methyl]cycloheptan-1-ol
CID 103452040

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol (CID 65122937) is 1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol is CCCc1ccc(C(C)NCC2(O)CCCCCC2)cc1.
What is the InChIKey of 1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol?
The InChIKey is WLVHJWHRXWZALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-8-17-9-11-18(12-10-17)16(2)20-15-19(21)13-6-4-5-7-14-19/h9-12,16,20-21H,3-8,13-15H2,1-2H3.
What are the key properties of 1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol?
1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 65122937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).