1-(3-methoxyphenyl)dodecan-2-amine

C19H33NO — CID 63417344

IUPAC1-(3-methoxyphenyl)dodecan-2-amine
SMILESCCCCCCCCCCC(N)Cc1cccc(OC)c1
InChIInChI=1S/C19H33NO/c1-3-4-5-6-7-8-9-10-13-18(20)15-17-12-11-14-19(16-17)21-2/h11-12,14,16,18H,3-10,13,15,20H2,1-2H3
InChIKeyPKYJAQAHJZOLKI-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.10
Rot. Bonds12

About 1-(3-methoxyphenyl)dodecan-2-amine

1-(3-methoxyphenyl)dodecan-2-amine (PubChem CID 63417344) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)dodecan-2-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)dodecan-2-amine
PubChem CID63417344
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(3-methoxyphenyl)dodecan-2-amine
SMILESCCCCCCCCCCC(N)Cc1cccc(OC)c1
InChIInChI=1S/C19H33NO/c1-3-4-5-6-7-8-9-10-13-18(20)15-17-12-11-14-19(16-17)21-2/h11-12,14,16,18H,3-10,13,15,20H2,1-2H3
InChIKeyPKYJAQAHJZOLKI-UHFFFAOYSA-N
XLogP5.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549
2-[(3-methoxyphenyl)methyl]octan-1-ol
CID 66058454
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
N-ethyl-1-(3-methoxyphenyl)octan-2-amine
CID 62602505
5-(2-methoxyethoxy)-1-(3-methoxyphenyl)pentan-2-amine
CID 103414989
5-methoxy-1-(3-methoxyphenyl)hexan-2-amine
CID 105133883
1-(3-fluorophenyl)nonan-2-amine
CID 63417129
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
1-methoxy-3-nonadecylbenzene
CID 154507578
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
1-methoxy-3-(2-methoxyhexyl)benzene
CID 122208727
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)dodecan-2-amine?
The IUPAC name of 1-(3-methoxyphenyl)dodecan-2-amine (CID 63417344) is 1-(3-methoxyphenyl)dodecan-2-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)dodecan-2-amine?
The canonical SMILES for 1-(3-methoxyphenyl)dodecan-2-amine is CCCCCCCCCCC(N)Cc1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)dodecan-2-amine?
The InChIKey is PKYJAQAHJZOLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-3-4-5-6-7-8-9-10-13-18(20)15-17-12-11-14-19(16-17)21-2/h11-12,14,16,18H,3-10,13,15,20H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)dodecan-2-amine?
1-(3-methoxyphenyl)dodecan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 5.10, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)dodecan-2-amine is sourced from PubChem (CID 63417344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).