N-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine

C17H29NO2 — CID 54849405

IUPACN-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine
SMILESCCCCCOc1c(CNC(C)CC)cccc1OC
InChIInChI=1S/C17H29NO2/c1-5-7-8-12-20-17-15(13-18-14(3)6-2)10-9-11-16(17)19-4/h9-11,14,18H,5-8,12-13H2,1-4H3
InChIKeyUOUBTTMSCUEQKP-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.15
Rot. Bonds10

About N-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine

N-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine (PubChem CID 54849405) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine
PubChem CID54849405
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine
SMILESCCCCCOc1c(CNC(C)CC)cccc1OC
InChIInChI=1S/C17H29NO2/c1-5-7-8-12-20-17-15(13-18-14(3)6-2)10-9-11-16(17)19-4/h9-11,14,18H,5-8,12-13H2,1-4H3
InChIKeyUOUBTTMSCUEQKP-UHFFFAOYSA-N
XLogP4.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 43472048
N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63487393
N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847865
(2S)-N-[[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 51988522
(2S)-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine
CID 51988595
N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805393
N-[(3-methoxy-2-octoxyphenyl)methyl]propan-1-amine
CID 54804925
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride
CID 17291397
1-(bromomethyl)-2-decoxy-3-methoxybenzene
CID 63536547
N-[(2-butoxy-3-methoxyphenyl)methyl]-1-(3-methyl-2-pyridinyl)ethanamine
CID 50972562
N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine
CID 54804200
5-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol
CID 62228603

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine?
The IUPAC name of N-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine (CID 54849405) is N-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine.
What is the SMILES notation for N-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine?
The canonical SMILES for N-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine is CCCCCOc1c(CNC(C)CC)cccc1OC.
What is the InChIKey of N-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine?
The InChIKey is UOUBTTMSCUEQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-7-8-12-20-17-15(13-18-14(3)6-2)10-9-11-16(17)19-4/h9-11,14,18H,5-8,12-13H2,1-4H3.
What are the key properties of N-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine?
N-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 4.15, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine is sourced from PubChem (CID 54849405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).