N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine

C19H31NO — CID 65091019

IUPACN-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCOCc1cccc(CNC2CCCC(C(C)C)CC2)c1
InChIInChI=1S/C19H31NO/c1-15(2)18-8-5-9-19(11-10-18)20-13-16-6-4-7-17(12-16)14-21-3/h4,6-7,12,15,18-20H,5,8-11,13-14H2,1-3H3
InChIKeyGUALXCQYZAXGMX-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.53
Rot. Bonds6

About N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine

N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65091019) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine
PubChem CID65091019
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCOCc1cccc(CNC2CCCC(C(C)C)CC2)c1
InChIInChI=1S/C19H31NO/c1-15(2)18-8-5-9-19(11-10-18)20-13-16-6-4-7-17(12-16)14-21-3/h4,6-7,12,15,18-20H,5,8-11,13-14H2,1-3H3
InChIKeyGUALXCQYZAXGMX-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine
CID 54896500
N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine
CID 54896835
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 62455961
N-[[3-(methoxymethyl)phenyl]methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428323
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine
CID 79458112
N-[[3-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754469
N-[[3-(methoxymethyl)phenyl]methyl]-2,6-dimethylcyclohexan-1-amine
CID 54896550
N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077799
4-[[(4-propan-2-ylcycloheptyl)amino]methyl]phenol
CID 114331412
N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091754
3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 104587859

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine (CID 65091019) is N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine is COCc1cccc(CNC2CCCC(C(C)C)CC2)c1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is GUALXCQYZAXGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-15(2)18-8-5-9-19(11-10-18)20-13-16-6-4-7-17(12-16)14-21-3/h4,6-7,12,15,18-20H,5,8-11,13-14H2,1-3H3.
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine?
N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65091019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).