N,3-dimethyl-2-(2-phenylethoxy)butan-1-amine

C14H23NO — CID 115001394

IUPACN,3-dimethyl-2-(2-phenylethoxy)butan-1-amine
SMILESCNCC(OCCc1ccccc1)C(C)C
InChIInChI=1S/C14H23NO/c1-12(2)14(11-15-3)16-10-9-13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3
InChIKeyLVWOJHKJBHIRLF-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.49
Rot. Bonds7

About N,3-dimethyl-2-(2-phenylethoxy)butan-1-amine

N,3-dimethyl-2-(2-phenylethoxy)butan-1-amine (PubChem CID 115001394) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N,3-dimethyl-2-(2-phenylethoxy)butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-(2-phenylethoxy)butan-1-amine
PubChem CID115001394
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN,3-dimethyl-2-(2-phenylethoxy)butan-1-amine
SMILESCNCC(OCCc1ccccc1)C(C)C
InChIInChI=1S/C14H23NO/c1-12(2)14(11-15-3)16-10-9-13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3
InChIKeyLVWOJHKJBHIRLF-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine
CID 115003011
N-[3-methyl-2-(2-phenylethoxy)butyl]cyclopropanamine
CID 114999821
(2S)-N,2-dimethyl-4-phenylbutan-1-amine
CID 134172295
1-(2-phenylethoxy)propane-1,2-diol
CID 140994820
2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene
CID 68855173
2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride
CID 119739688
N-[2-(2-phenylethoxy)propyl]butan-2-amine
CID 115002170
N-methyl-3-(2-phenylethoxy)pentan-1-amine
CID 142009741
2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine
CID 115002161
N,2,3-trimethyl-4-phenylbutan-1-amine
CID 81016315
N,3-dimethyl-2-(4-phenylphenoxy)butan-1-amine
CID 62450460
N-methyl-2-(3-phenylpropoxy)pentan-1-amine
CID 83045802

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-(2-phenylethoxy)butan-1-amine?
The IUPAC name of N,3-dimethyl-2-(2-phenylethoxy)butan-1-amine (CID 115001394) is N,3-dimethyl-2-(2-phenylethoxy)butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-(2-phenylethoxy)butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-(2-phenylethoxy)butan-1-amine is CNCC(OCCc1ccccc1)C(C)C.
What is the InChIKey of N,3-dimethyl-2-(2-phenylethoxy)butan-1-amine?
The InChIKey is LVWOJHKJBHIRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12(2)14(11-15-3)16-10-9-13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3.
What are the key properties of N,3-dimethyl-2-(2-phenylethoxy)butan-1-amine?
N,3-dimethyl-2-(2-phenylethoxy)butan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-(2-phenylethoxy)butan-1-amine is sourced from PubChem (CID 115001394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).