N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]propan-2-amine

C19H31NO — CID 81028785

IUPACN-[[2-(4-propoxyphenyl)cyclohexyl]methyl]propan-2-amine
SMILESCCCOc1ccc(C2CCCCC2CNC(C)C)cc1
InChIInChI=1S/C19H31NO/c1-4-13-21-18-11-9-16(10-12-18)19-8-6-5-7-17(19)14-20-15(2)3/h9-12,15,17,19-20H,4-8,13-14H2,1-3H3
InChIKeyDHZKQLUPADVMOW-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.75
Rot. Bonds7

About N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]propan-2-amine

N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 81028785) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-propoxyphenyl)cyclohexyl]methyl]propan-2-amine
PubChem CID81028785
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[[2-(4-propoxyphenyl)cyclohexyl]methyl]propan-2-amine
SMILESCCCOc1ccc(C2CCCCC2CNC(C)C)cc1
InChIInChI=1S/C19H31NO/c1-4-13-21-18-11-9-16(10-12-18)19-8-6-5-7-17(19)14-20-15(2)3/h9-12,15,17,19-20H,4-8,13-14H2,1-3H3
InChIKeyDHZKQLUPADVMOW-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]propan-2-amine
CID 81034049
N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81026728
2-methyl-N-[[2-(4-propoxyphenyl)cyclobutyl]methyl]propan-1-amine
CID 81023460
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-2-amine
CID 116507110
N-methyl-2-(4-propoxyphenyl)cyclohexan-1-amine
CID 55120346
N-[[2-(3,4-dichlorophenyl)cyclohexyl]methyl]propan-2-amine
CID 81024326
2-methyl-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]propan-1-amine
CID 55210303
N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81034354
N-[2-(4-propoxyphenoxy)propyl]cyclopentanamine
CID 62597520
2-(2-methylpropyl)-3-(4-propoxyphenyl)pyrrolidine
CID 55112134
N-[(2-pyridin-3-ylcyclohexyl)methyl]propan-2-amine
CID 81027798
1-[3-(2-pentylcyclohexyl)propoxy]-4-propoxybenzene
CID 57258842

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]propan-2-amine (CID 81028785) is N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]propan-2-amine is CCCOc1ccc(C2CCCCC2CNC(C)C)cc1.
What is the InChIKey of N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is DHZKQLUPADVMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-13-21-18-11-9-16(10-12-18)19-8-6-5-7-17(19)14-20-15(2)3/h9-12,15,17,19-20H,4-8,13-14H2,1-3H3.
What are the key properties of N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]propan-2-amine?
N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81028785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).