N,2,2-trimethyl-4-phenylmethoxybutan-1-amine;hydrochloride

C14H24ClNO — CID 122240236

IUPACN,2,2-trimethyl-4-phenylmethoxybutan-1-amine;hydrochloride
SMILESCNCC(C)(C)CCOCc1ccccc1.Cl
InChIInChI=1S/C14H23NO.ClH/c1-14(2,12-15-3)9-10-16-11-13-7-5-4-6-8-13;/h4-8,15H,9-12H2,1-3H3;1H
InChIKeyOFNSQKCBIDGAMU-UHFFFAOYSA-N
MW257.81 g/mol
LogP3.26
Rot. Bonds7

About N,2,2-trimethyl-4-phenylmethoxybutan-1-amine;hydrochloride

N,2,2-trimethyl-4-phenylmethoxybutan-1-amine;hydrochloride (PubChem CID 122240236) has the molecular formula C14H24ClNO and a molecular weight of 257.81 g/mol. Its IUPAC name is N,2,2-trimethyl-4-phenylmethoxybutan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,2,2-trimethyl-4-phenylmethoxybutan-1-amine;hydrochloride
PubChem CID122240236
Molecular FormulaC14H24ClNO
Molecular Weight257.81 g/mol
Exact Mass257.15
IUPAC NameN,2,2-trimethyl-4-phenylmethoxybutan-1-amine;hydrochloride
SMILESCNCC(C)(C)CCOCc1ccccc1.Cl
InChIInChI=1S/C14H23NO.ClH/c1-14(2,12-15-3)9-10-16-11-13-7-5-4-6-8-13;/h4-8,15H,9-12H2,1-3H3;1H
InChIKeyOFNSQKCBIDGAMU-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.81
LogP ≤ 53.26
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

N,2-dimethyl-2-(2-phenylmethoxyethyl)but-3-en-1-amine
CID 130537187
4-[tert-butyl(diphenyl)silyl]oxy-N,2,2-trimethylbutan-1-amine
CID 66997840
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
2-methyl-4-phenylmethoxybutane-1,2-diamine
CID 90114043
(3-methyl-3-phenoxybutoxy)methylbenzene
CID 59317010
[5-(3,3-dimethyl-5-phenylpentoxy)-3,3-dimethylpentyl]benzene
CID 174996327
N,2-dimethyl-N-(2-phenylmethoxyethyl)propan-2-amine
CID 23381577
3,3-dimethyl-4-phenylmethoxybutan-1-amine
CID 122238724
(3-chloro-5,5,5-trifluoro-3-methylpentoxy)methylbenzene
CID 162621053
2-methyl-6-phenylmethoxyhexan-2-ol
CID 130681536
2-methyl-2-(2-phenylmethoxyethyl)pentan-1-amine
CID 130537173
2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine
CID 130536986

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-4-phenylmethoxybutan-1-amine;hydrochloride?
The IUPAC name of N,2,2-trimethyl-4-phenylmethoxybutan-1-amine;hydrochloride (CID 122240236) is N,2,2-trimethyl-4-phenylmethoxybutan-1-amine;hydrochloride.
What is the SMILES notation for N,2,2-trimethyl-4-phenylmethoxybutan-1-amine;hydrochloride?
The canonical SMILES for N,2,2-trimethyl-4-phenylmethoxybutan-1-amine;hydrochloride is CNCC(C)(C)CCOCc1ccccc1.Cl.
What is the InChIKey of N,2,2-trimethyl-4-phenylmethoxybutan-1-amine;hydrochloride?
The InChIKey is OFNSQKCBIDGAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO.ClH/c1-14(2,12-15-3)9-10-16-11-13-7-5-4-6-8-13;/h4-8,15H,9-12H2,1-3H3;1H.
What are the key properties of N,2,2-trimethyl-4-phenylmethoxybutan-1-amine;hydrochloride?
N,2,2-trimethyl-4-phenylmethoxybutan-1-amine;hydrochloride has a molecular weight of 257.81 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-4-phenylmethoxybutan-1-amine;hydrochloride is sourced from PubChem (CID 122240236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).