1-(3-ethoxyphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine

C16H25NO — CID 105022410

IUPAC1-(3-ethoxyphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine
SMILESCCOc1cccc(C(NC)C2(C)CCCC2)c1
InChIInChI=1S/C16H25NO/c1-4-18-14-9-7-8-13(12-14)15(17-3)16(2)10-5-6-11-16/h7-9,12,15,17H,4-6,10-11H2,1-3H3
InChIKeyBVXZWQUKWBUWSN-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.93
Rot. Bonds5

About 1-(3-ethoxyphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine

1-(3-ethoxyphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine (PubChem CID 105022410) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine
PubChem CID105022410
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(3-ethoxyphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine
SMILESCCOc1cccc(C(NC)C2(C)CCCC2)c1
InChIInChI=1S/C16H25NO/c1-4-18-14-9-7-8-13(12-14)15(17-3)16(2)10-5-6-11-16/h7-9,12,15,17H,4-6,10-11H2,1-3H3
InChIKeyBVXZWQUKWBUWSN-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(1-methylcyclopentyl)-1-(3-methylphenyl)methanamine
CID 115790477
N-methyl-1-(1-methylcyclohexyl)-1-(3-methylphenyl)methanamine
CID 106829804
N-[(3-ethoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine
CID 80685124
1-(3-cyclopropyloxyphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 105051822
N-methyl-1-(1-methylcyclohexyl)-1-naphthalen-2-ylmethanamine
CID 106830028
N-methyl-1-(1-methylcyclohexyl)-1-(4-propoxyphenyl)methanamine
CID 106830052
(1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol
CID 116753198
N-methyl-1-(1-methylcyclopentyl)-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026977
1-(3-methoxyphenyl)-N-methyl-1-(3-methyloxetan-3-yl)methanamine
CID 123817997
1-(7-bicyclo[4.1.0]heptanyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022201
1-[3-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 79167201
1-(1-methoxycyclohexyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116762916

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
The IUPAC name of 1-(3-ethoxyphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine (CID 105022410) is 1-(3-ethoxyphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine is CCOc1cccc(C(NC)C2(C)CCCC2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
The InChIKey is BVXZWQUKWBUWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-18-14-9-7-8-13(12-14)15(17-3)16(2)10-5-6-11-16/h7-9,12,15,17H,4-6,10-11H2,1-3H3.
What are the key properties of 1-(3-ethoxyphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
1-(3-ethoxyphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine has a molecular weight of 247.38 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine is sourced from PubChem (CID 105022410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).